UCSF

ZINC06476387

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 22 No

Other Names:

MFCD01112826

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.87 6.41 -9.99 2 4 0 57 305.259 3
Ref Reference (pH 7) 3.87 6.52 -8.14 2 4 0 57 305.259 3

Vendor Notes

Note Type Comments Provided By
melting_point 224 - 226 KeyOrganics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )